4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine

C16H21N3OS — CID 75435194

IUPAC4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine
SMILESc1cnn(-c2ccc(CSCCN3CCOCC3)cc2)c1
InChIInChI=1S/C16H21N3OS/c1-6-17-19(7-1)16-4-2-15(3-5-16)14-21-13-10-18-8-11-20-12-9-18/h1-7H,8-14H2
InChIKeyYXUMXINYLMKDOJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.44
Rot. Bonds6

About 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine

4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine (PubChem CID 75435194) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine
PubChem CID75435194
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine
SMILESc1cnn(-c2ccc(CSCCN3CCOCC3)cc2)c1
InChIInChI=1S/C16H21N3OS/c1-6-17-19(7-1)16-4-2-15(3-5-16)14-21-13-10-18-8-11-20-12-9-18/h1-7H,8-14H2
InChIKeyYXUMXINYLMKDOJ-UHFFFAOYSA-N
XLogP2.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine
CID 110176808
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111188250
3,5-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 86911428
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 172660022
4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869917
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
CID 118585226
1-(4-prop-2-enylphenyl)pyrazole
CID 90761128
1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 17496707
4-[[4-(triazol-1-yl)phenyl]methyl]morpholine
CID 141342555
4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine
CID 75435208
4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine
CID 84592261

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine (CID 75435194) is 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine is c1cnn(-c2ccc(CSCCN3CCOCC3)cc2)c1.
What is the InChIKey of 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine?
The InChIKey is YXUMXINYLMKDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-6-17-19(7-1)16-4-2-15(3-5-16)14-21-13-10-18-8-11-20-12-9-18/h1-7H,8-14H2.
What are the key properties of 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine?
4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine has a molecular weight of 303.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 75435194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).